N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide

C27H26F2N4O — CID 57434969

IUPACN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(F)cc4F)c3)cc12
InChIInChI=1S/C27H26F2N4O/c1-4-33(5-2)26-23-14-20(9-12-25(23)30-17-31-26)19-8-6-7-18(13-19)16-32(3)27(34)22-11-10-21(28)15-24(22)29/h6-15,17H,4-5,16H2,1-3H3
InChIKeyXIARGOJQIXBLTJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.69
Rot. Bonds7

About N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide

N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide (PubChem CID 57434969) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide
PubChem CID57434969
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(F)cc4F)c3)cc12
InChIInChI=1S/C27H26F2N4O/c1-4-33(5-2)26-23-14-20(9-12-25(23)30-17-31-26)19-8-6-7-18(13-19)16-32(3)27(34)22-11-10-21(28)15-24(22)29/h6-15,17H,4-5,16H2,1-3H3
InChIKeyXIARGOJQIXBLTJ-UHFFFAOYSA-N
XLogP5.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide (CID 57434969) is N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide is CCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(F)cc4F)c3)cc12.
What is the InChIKey of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide?
The InChIKey is XIARGOJQIXBLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-4-33(5-2)26-23-14-20(9-12-25(23)30-17-31-26)19-8-6-7-18(13-19)16-32(3)27(34)22-11-10-21(28)15-24(22)29/h6-15,17H,4-5,16H2,1-3H3.
What are the key properties of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide?
N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 57434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).